(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide

C27H24ClF3N2O2 — CID 67165711

IUPAC(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCN(C(=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClF3N2O2/c1-3-32(21-14-12-20(28)13-15-21)26(35)23-16-17(2)33(24-7-5-4-6-22(23)24)25(34)18-8-10-19(11-9-18)27(29,30)31/h4-15,17,23H,3,16H2,1-2H3/t17-,23-/m1/s1
InChIKeyZPALKYFKSMQSRD-UZUQRXQVSA-N
MW500.95 g/mol
LogP6.93
Rot. Bonds4

About (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide

(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 67165711) has the molecular formula C27H24ClF3N2O2 and a molecular weight of 500.95 g/mol. Its IUPAC name is (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID67165711
Molecular FormulaC27H24ClF3N2O2
Molecular Weight500.95 g/mol
Exact Mass500.15
IUPAC Name(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCN(C(=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClF3N2O2/c1-3-32(21-14-12-20(28)13-15-21)26(35)23-16-17(2)33(24-7-5-4-6-22(23)24)25(34)18-8-10-19(11-9-18)27(29,30)31/h4-15,17,23H,3,16H2,1-2H3/t17-,23-/m1/s1
InChIKeyZPALKYFKSMQSRD-UZUQRXQVSA-N
XLogP6.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.95
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165901
ethyl 4-[4-[(2R,4R)-4-[(4-chlorophenyl)-ethylcarbamoyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-difluorobutanoate
CID 67166265
4-[4-[(2S,4R)-4-[(4-chlorophenyl)-ethylcarbamoyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-dimethylbutanoic acid
CID 140509528
4-[4-[4-[(4-chlorophenyl)-ethylcarbamoyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-dimethylbutanoic acid
CID 67164811
2-[2-[4-[(2S,4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]ethoxy]-2-methylpropanoic acid
CID 58732779
N-(4-chlorophenyl)-N-ethyl-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165820
5-[4-[(2S,4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-2-fluorophenyl]-2,2-dimethylpentanoic acid
CID 58732786
(2S,4S)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732771
N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165995
(2S,4R)-N-(4-chlorophenyl)-N-ethyl-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732790
(2R,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 98730563
(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732818

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide (CID 67165711) is (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide is CCN(C(=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is ZPALKYFKSMQSRD-UZUQRXQVSA-N. The full InChI is InChI=1S/C27H24ClF3N2O2/c1-3-32(21-14-12-20(28)13-15-21)26(35)23-16-17(2)33(24-7-5-4-6-22(23)24)25(34)18-8-10-19(11-9-18)27(29,30)31/h4-15,17,23H,3,16H2,1-2H3/t17-,23-/m1/s1.
What are the key properties of (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 500.95 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 67165711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).